Residue IE Filer
| Case number: | 699969-996207 |
| Topic: | General |
| Opened by: | Vman |
| Status: | Open |
| Type: | Bug |
| Opened on: | Wednesday, October 30, 2013 - 15:52 |
| Last modified: | Saturday, November 2, 2013 - 03:22 |
When my residue IE filter doesn't detect low scoring sidechains I see this: http://puu.sh/53QkT.png
Many others are showing a 50 point bonus as shown here: http://puu.sh/53Qnn.png
Suggestion to the dev's: when specifying the IE filter pls add, you get a 50 pt bonus if you dont use any of these 3.
Would someone clarify if you really do not want any at all of those 3 for design purposes, or is the filter to prevent excess use and one or maybe two are ok, and you wear the point loss?
The problem with assigning a plus fifty bonus for no aromatics is that you lose more than fifty points when you make those substitutions.
PHE-TYR-TRP are not bad! You can really have a few in your design. There are certainly plenty of them in real-life proteins. Please fix the scoring function with something other than this Band-Aid approach.
My current design has a rather large void that a tryptophan fits in, nicely, and scores some forty points. I am not removing it. All other sidechains drop the score up to a hundred points.
As Vman noticed my track getting the 50pts bonus says:
Residue IE SCore gained points: (+50) Fliter Passes
The track not getting pts says:
Residue IE Score: score no change
There are 0 residues that are scoring too low.